SEQ2FUN

BioLiP

PDB CCD ID: 7ZE
Number of entries in BioLiP: 1
Chemical formula: C9 H6 N2 O2
InChI: InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H
InChIKey: NDDZXHOCOKCNBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cccn2)c(c1)[N+](=O)[O-]
ACDLabs 12.01
CACTVS 3.385		[O-][N+](=O)c1cccc2ncccc12
Name:5-nitroquinoline
ChEMBL: CHEMBL164449
ZINC: ZINC000000331720
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).